SCHEMBL21396496

SCHEMBL21396496

O=C(CSc1nc2c(=O)n3cc(-c4ccccc4)[nH]c3nc2n1CC(O)C1OPOCC1O)Nc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.39
MAPT P10636 5/20 0.38
LMNA P02545 1/20 0.36
TP53 P04637 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TDP1 Q9NUW8 1/20 0.36
PKM P14618 3/20 0.35
RAB9A P51151 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
ADORA1 P30542 1/20 0.35
POLB P06746 3/20 0.35
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
PIK3C2A O00443 1/20 0.34
PIK3C2B O00750 1/20 0.34

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21396405 0.92 TDP1 (0.38) TDP1ALDH1A1ADORA3ADORA1
SCHEMBL21396525 0.83 TDP1 (0.38) TDP1ADORA3ADORA1
SCHEMBL21396413 0.83 ADORA3 (0.40) TDP1ADORA3ADORA1
SCHEMBL21396411 0.83 RXFP1 (0.40) RXFP1MAPTLMNATP53MEN1
SCHEMBL21396385 0.79 ADORA3 (0.37) MAPTLMNAMEN1KMT2ATDP1
SCHEMBL21396522 0.79 RXFP1 (0.47) RXFP1MAPTLMNATP53MEN1
SCHEMBL21396511 0.77 TDP1 (0.36) TDP1ADORA3ADORA1
SCHEMBL21396352 0.76 TDP1 (0.39) TDP1ADORA3ADORA1
SCHEMBL21396526 0.76 TDP1 (0.40) TDP1ADORA3ADORA1
SCHEMBL24776198 0.71 TDP1 (0.52) RXFP1MAPTLMNATP53KMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190292214-A1 NEW EQUATORIALLY MODIFIED POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES MIRECA MEDICINES GMBH (DE) 2019-09-26 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20190292214-A1 NEW EQUATORIALLY MODIFIED POLYMER LINKED MULTIMERS OF GUANOSINE-3', 5'-CYCLIC MONOPHOSPHATES PDE7A, PRKG1, PDE4C RXFP1 3234/4885MAPT 4419/4885LMNA 3510/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.